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应用电化学动电位扫描方法研究了在含低浓度H2 S的硫酸溶液中CL- 对铁阳极溶解的影响.采用量子化学计算方法 (CNDO/2 ) ,得到了CL- 与HS- 在电极表面吸附的稳定形态 ,优化计算了阳极电位下CL- 与HS- 竞争吸附的总能量、结合能和FE原子净电荷分布.结果表明 ,一定浓度的CL- 可在电极表面阳极区稳定吸附 ,从而降低HS- 的界面浓度 ,抑制铁的阳极反应 ;CL- 达到饱和吸附后 ,铁溶解反应途径发生改变 ,此时FE(CL- ) ADS作为吸附中间物促进阳极反应 ;CL- 作用转化的临界浓度为 1MOL/L.“,”The effect of Cl - ion on the anodic dissolution of iron in H 2SO 4 solutions containing low H 2S level has been stdied by electrochemical polarization curve measurements. Meanwhile, the stable adsorption patterns of Cl - and HS - ions on iron surface were determined with CNDO/2 method. Furthermore, the total energy and binding energy of the competitive adsorption between Cl - and HS -ions under the anodic potential as well as the net charge distribution of iron atoms were calculated. The results showed that certain concentration of Cl - ion could adsorb steadily in the anodic regions of electrode surface, reduce the interfacial concentration of HS - ion, and thereby inhibit the anodic reaction of iron. However, when Cl - ions reached saturated adsorption, the reaction courses changed into iron dissoltion promoted by Fe(Cl -) ads . The criticalconcentration of Cl - ion for the action transition was 1 mol/L.